In-silico Discovery of Potential Mycobacterium tuberculosis Cell Division Protein FtsZ Inhibitors: A Natural Ligand Piperine-Derived 3-Point Pharmacophore Screening and Structure-Guided Blind Docking Study
Sunita Deore,
Vinod Wagh,
Ujjwala Thube
et al.
Abstract:This research employs a computational strategy to identify potential inhibitors against Mycobacterium tuberculosis FtsZ, a crucial cell division protein. The crystal structure of FtsZ was meticulously validated, serving as the foundation for pharmacophore-based virtual screening and subsequent molecular docking simulations. Piperine, a natural ligand derived from black pepper, guided the development of a 3-point pharmacophore model, which successfully screened a diverse chemical database. Ten top-ranking compo… Show more
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